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2FAL
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BU of 2fal by Molmil
X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES
Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M.
Deposit date:1993-06-14
Release date:1993-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
2IDF
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BU of 2idf by Molmil
P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer
Descriptor: 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ...
Authors:Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W.
Deposit date:2006-09-15
Release date:2008-03-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface
To be Published
1Y92
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BU of 1y92 by Molmil
Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
1Y94
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BU of 1y94 by Molmil
Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
Descriptor: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
Authors:Faller, M.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
5EW1
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BU of 5ew1 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
5EW2
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BU of 5ew2 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
Structure, 32, 2024
7BFL
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BU of 7bfl by Molmil
X-ray structure of SS-RNase-2 des116-120
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
7BFK
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BU of 7bfk by Molmil
X-ray structure of SS-RNase-2
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
3TT0
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BU of 3tt0 by Molmil
Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)
Descriptor: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, Basic fibroblast growth factor receptor 1, GLYCEROL, ...
Authors:Bussiere, D.E, Murray, J.M, Shu, W.
Deposit date:2011-09-13
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
J.Med.Chem., 54, 2011
6TFP
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BU of 6tfp by Molmil
BTK in complex with LOU064, a potent and highly selective covalent inhibitor
Descriptor: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
Authors:Scheufler, C, Hinniger, A, Gutmann, S.
Deposit date:2019-11-14
Release date:2020-03-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
Descriptor: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Gutmann, S, Hinniger, A.
Deposit date:2019-07-11
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
6ETO
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BU of 6eto by Molmil
Atomic resolution structure of RNase A (data collection 5)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018

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